Portability Environment for Fortran poor people
- fortran
- codes-portability
- precision
Repository Index
47,133 repositories indexed
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Multi-stage Riemannian flow matching for physically valid molecular docking, with GNINA scoring, PoseBusters filtering, CLI inference, and benchmarks.
- alphafold3
- docking
- drug-design
- drug-discovery
A common lisp library that provides a numeric type with optional unit and/or uncertainty for computations with automatic error propagation.
📐✏️ Slides from my talk on Mathematics of Animation @ .concat() 2018
Qurry (was) a prototype for a functional quantum programming language. It incorporated many aspects of functional programming (Haskell, Clojure), but also took standard design philosophies from C++, Python, and other "traditional" languages. [category: quantum]
ODE system solver made simple. For IVPs (initial value problems).
- runge-kutta-fehlberg
- runge-kutta
- simulation
- ode-solver
UV-first benchmark for protein-ligand docking with reproducible annotation, pocket similarity, and HPC workflows.
- benchmark
- bioinformatics
- cheminformatics
- computational-chemistry
Generative models for transcriptomic-driven or protein-driven molecular design (PaccMann^RL).
- deep-reinforcement-learning
- generative-model
- vae
- molecule-generation
Node-RED nodes for The Weather Company and Weather Underground Personal Weather Station APIs
go-glmatrix is a golang version of glMatrix, which is "designed to perform vector and matrix operations stupidly fast".
DetecDiv provides a comprehensive set of tools to analyze time microscopy images using deep learning methods. The software structure is such that data can be processed either at the command line or using a graphical user-interface. Detecdiv classification models include : image classification and regression, semantic segmentation, LSTM networks to analyze data and image timeseries.
Winner of the Golem Gitcoin Hackathon 2020 (https://blog.golemproject.net/meet-the-winners-golem-gitcoin-hackathon-2020/). This app lets people design, simulate, and analyse antenna arrays without the need to utilize commercial and expensive applications.
- golem
A collection of swift playground about mathematics.
This is a weather app for the MacOSX menubar that the user can easily click to find the weather. Uses CSS based design and gets data from OpenWeatherMap.